CID 262529

1-chloro-1,1,3,3,3-pentafluoropropan-2-ol

Structural Information

Molecular Formula
C3H2ClF5O
SMILES
C(C(F)(F)F)(C(F)(F)Cl)O
InChI
InChI=1S/C3H2ClF5O/c4-2(5,6)1(10)3(7,8)9/h1,10H
InChIKey
HGIOAGJTHRJMPE-UHFFFAOYSA-N
Compound name
1-chloro-1,1,3,3,3-pentafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

183.97144 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.97872 123.4
[M+Na]+ 206.96066 133.1
[M-H]- 182.96416 116.6
[M+NH4]+ 202.00526 143.3
[M+K]+ 222.93460 130.1
[M+H-H2O]+ 166.96870 117.1
[M+HCOO]- 228.96964 133.2
[M+CH3COO]- 242.98529 176.5
[M+Na-2H]- 204.94611 128.6
[M]+ 183.97089 116.8
[M]- 183.97199 116.8
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