CID 135705528

2-((hydroxyimino)methyl)-3-methyl-1-((4-(trifluoromethyl)benzyloxy)methyl)imidazolium chloride

Structural Information

Molecular Formula
C14H15F3N3O2
SMILES
C[N+]1=C(N(C=C1)COCC2=CC=C(C=C2)C(F)(F)F)/C=N/O
InChI
InChI=1S/C14H14F3N3O2/c1-19-6-7-20(13(19)8-18-21)10-22-9-11-2-4-12(5-3-11)14(15,16)17/h2-8H,9-10H2,1H3/p+1
InChIKey
QVZZKTDBVIOVAJ-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-[[4-(trifluoromethyl)phenyl]methoxymethyl]imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.11163 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11891 168.5
[M+Na]+ 337.10085 177.4
[M-H]- 313.10435 169.6
[M+NH4]+ 332.14545 181.9
[M+K]+ 353.07479 167.5
[M+H-H2O]+ 297.10889 160.1
[M+HCOO]- 359.10983 187.5
[M+CH3COO]- 373.12548 199.0
[M+Na-2H]- 335.08630 174.3
[M]+ 314.11108 166.5
[M]- 314.11218 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.