CID 10654761

2-(2,4-difluorophenyl)propan-2-ol

Structural Information

Molecular Formula
C9H10F2O
SMILES
CC(C)(C1=C(C=C(C=C1)F)F)O
InChI
InChI=1S/C9H10F2O/c1-9(2,12)7-4-3-6(10)5-8(7)11/h3-5,12H,1-2H3
InChIKey
SLTYBPUHHHXDGF-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

172.06998 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07726 131.8
[M+Na]+ 195.05920 141.3
[M-H]- 171.06270 132.3
[M+NH4]+ 190.10380 152.2
[M+K]+ 211.03314 138.6
[M+H-H2O]+ 155.06724 125.7
[M+HCOO]- 217.06818 151.5
[M+CH3COO]- 231.08383 178.8
[M+Na-2H]- 193.04465 137.7
[M]+ 172.06943 129.2
[M]- 172.07053 129.2
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