CID 9872

2,2,3,3,3-pentafluoro-1-propanol

Structural Information

Molecular Formula
C3H3F5O
SMILES
C(C(C(F)(F)F)(F)F)O
InChI
InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2
InChIKey
PSQZJKGXDGNDFP-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

7320
Patents

150.0104 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.01768 120.8
[M+Na]+ 172.99962 129.9
[M-H]- 149.00312 113.9
[M+NH4]+ 168.04422 141.3
[M+K]+ 188.97356 128.8
[M+H-H2O]+ 133.00766 113.6
[M+HCOO]- 195.00860 135.8
[M+CH3COO]- 209.02425 171.8
[M+Na-2H]- 170.98507 127.4
[M]+ 150.00985 112.9
[M]- 150.01095 112.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe