CID 383504

Nsc671889

Structural Information

Molecular Formula
C15H7F5N2O
SMILES
CC1=NC2=CC=CC=C2N1C(=O)C3=C(C(=C(C(=C3F)F)F)F)F
InChI
InChI=1S/C15H7F5N2O/c1-6-21-7-4-2-3-5-8(7)22(6)15(23)9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,1H3
InChIKey
DJOROBASCMRIJL-UHFFFAOYSA-N
Compound name
(2-methylbenzimidazol-1-yl)-(2,3,4,5,6-pentafluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.04785 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.05513 166.8
[M+Na]+ 349.03707 182.0
[M-H]- 325.04057 167.6
[M+NH4]+ 344.08167 182.1
[M+K]+ 365.01101 174.7
[M+H-H2O]+ 309.04511 154.6
[M+HCOO]- 371.04605 184.0
[M+CH3COO]- 385.06170 210.9
[M+Na-2H]- 347.02252 166.2
[M]+ 326.04730 165.6
[M]- 326.04840 165.6
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.