CID 2773541

261762-44-1

Structural Information

Molecular Formula
C7H5ClF2O
SMILES
C1=CC(=C(C(=C1F)CO)Cl)F
InChI
InChI=1S/C7H5ClF2O/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2,11H,3H2
InChIKey
SWOINHLBPZMVBC-UHFFFAOYSA-N
Compound name
(2-chloro-3,6-difluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

177.9997 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.006976 126.8
[M+Na]+ 200.988918 138.3
[M-H]- 176.992424 127.4
[M+NH4]+ 196.033523 147.9
[M+K]+ 216.962858 133.7
[M+H-H2O]+ 160.996960 121.5
[M+HCOO]- 222.997901 144.1
[M+CH3COO]- 237.013551 177.4
[M+Na-2H]- 198.974366 132.1
[M]+ 177.99915142 126.4
[M]- 178.00024858 126.4
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