CID 597703

2-(difluoromethyl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C8H6F2N2
SMILES
C1=CC=C2C(=C1)NC(=N2)C(F)F
InChI
InChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
InChIKey
PURNIHSRWGYONZ-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

283
Patents

168.04991 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05719 128.4
[M+Na]+ 191.03913 139.1
[M-H]- 167.04263 127.1
[M+NH4]+ 186.08373 148.6
[M+K]+ 207.01307 135.0
[M+H-H2O]+ 151.04717 120.1
[M+HCOO]- 213.04811 148.3
[M+CH3COO]- 227.06376 141.7
[M+Na-2H]- 189.02458 135.3
[M]+ 168.04936 125.8
[M]- 168.05046 125.8
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