CID 16227642

[1-(difluoromethyl)-1h-1,3-benzodiazol-2-yl]methanol

Structural Information

Molecular Formula
C9H8F2N2O
SMILES
C1=CC=C2C(=C1)N=C(N2C(F)F)CO
InChI
InChI=1S/C9H8F2N2O/c10-9(11)13-7-4-2-1-3-6(7)12-8(13)5-14/h1-4,9,14H,5H2
InChIKey
YOTSXVUDIFYTGT-UHFFFAOYSA-N
Compound name
[1-(difluoromethyl)benzimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.06047 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06775 136.4
[M+Na]+ 221.04969 147.5
[M-H]- 197.05319 135.3
[M+NH4]+ 216.09429 155.6
[M+K]+ 237.02363 143.7
[M+H-H2O]+ 181.05773 128.1
[M+HCOO]- 243.05867 156.1
[M+CH3COO]- 257.07432 181.8
[M+Na-2H]- 219.03514 142.0
[M]+ 198.05992 135.9
[M]- 198.06102 135.9
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