CID 60150207

A967079

Structural Information

Molecular Formula
C12H14FNO
SMILES
CC/C(=N/O)/C(=C/C1=CC=C(C=C1)F)/C
InChI
InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12-
InChIKey
HKROEBDHHKMNBZ-BYKJOZEVSA-N
Compound name
(NZ)-N-[(E)-1-(4-fluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

48
References

79
Patents

207.10594 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11322 146.0
[M+Na]+ 230.09516 152.5
[M-H]- 206.09866 148.2
[M+NH4]+ 225.13976 164.7
[M+K]+ 246.06910 149.6
[M+H-H2O]+ 190.10320 138.9
[M+HCOO]- 252.10414 168.2
[M+CH3COO]- 266.11979 189.7
[M+Na-2H]- 228.08061 149.1
[M]+ 207.10539 144.1
[M]- 207.10649 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe