CID 2774146

252004-41-4

Structural Information

Molecular Formula
C8H8F2O
SMILES
CC1=C(C(=C(C=C1)CO)F)F
InChI
InChI=1S/C8H8F2O/c1-5-2-3-6(4-11)8(10)7(5)9/h2-3,11H,4H2,1H3
InChIKey
DQSLGRQGXKEAKS-UHFFFAOYSA-N
Compound name
(2,3-difluoro-4-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

158.05432 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.061596 126.5
[M+Na]+ 181.043538 136.8
[M-H]- 157.047044 127.2
[M+NH4]+ 176.088143 147.5
[M+K]+ 197.017478 134.0
[M+H-H2O]+ 141.051580 120.1
[M+HCOO]- 203.052521 148.0
[M+CH3COO]- 217.068171 176.6
[M+Na-2H]- 179.028986 131.6
[M]+ 158.05377142 124.4
[M]- 158.05486858 124.4
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