CID 720763

(2-chloro-4,5-difluorophenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

177.9997 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00698 126.8
[M+Na]+ 200.98892 138.3
[M-H]- 176.99242 127.4
[M+NH4]+ 196.03352 147.9
[M+K]+ 216.96286 133.7
[M+H-H2O]+ 160.99696 121.5
[M+HCOO]- 222.99790 144.1
[M+CH3COO]- 237.01355 177.4
[M+Na-2H]- 198.97437 132.1
[M]+ 177.99915 126.4
[M]- 178.00025 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