CID 2775098

175135-15-6

Structural Information

Molecular Formula
C11H11F3N2O
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CCCO
InChI
InChI=1S/C11H11F3N2O/c12-11(13,14)7-3-4-8-9(6-7)16-10(15-8)2-1-5-17/h3-4,6,17H,1-2,5H2,(H,15,16)
InChIKey
FDRMNTVCDKSRNL-UHFFFAOYSA-N
Compound name
3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

244.08235 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08963 150.0
[M+Na]+ 267.07157 160.6
[M-H]- 243.07507 146.1
[M+NH4]+ 262.11617 166.8
[M+K]+ 283.04551 154.9
[M+H-H2O]+ 227.07961 141.2
[M+HCOO]- 289.08055 165.8
[M+CH3COO]- 303.09620 186.9
[M+Na-2H]- 265.05702 155.4
[M]+ 244.08180 147.2
[M]- 244.08290 147.2
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