CID 2736994

[3-(difluoromethoxy)phenyl]methanol

Structural Information

Molecular Formula
C8H8F2O2
SMILES
C1=CC(=CC(=C1)OC(F)F)CO
InChI
InChI=1S/C8H8F2O2/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8,11H,5H2
InChIKey
BBDUCPSYPRGPGO-UHFFFAOYSA-N
Compound name
[3-(difluoromethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

174.04924 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.056516 131.3
[M+Na]+ 197.038458 139.4
[M-H]- 173.041964 131.2
[M+NH4]+ 192.083063 150.9
[M+K]+ 213.012398 137.5
[M+H-H2O]+ 157.046500 124.2
[M+HCOO]- 219.047441 152.0
[M+CH3COO]- 233.063091 177.1
[M+Na-2H]- 195.023906 136.4
[M]+ 174.04869142 129.3
[M]- 174.04978858 129.3
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

patents stripe