CID 14936894

1,1,1,2,2,3,3-heptafluorobutane

Structural Information

Molecular Formula
C4H3F7
SMILES
CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C4H3F7/c1-2(5,6)3(7,8)4(9,10)11/h1H3
InChIKey
DUAKCVSNUIDZMC-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3436
Patents

184.0123 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01958 127.1
[M+Na]+ 207.00152 136.7
[M-H]- 183.00502 119.3
[M+NH4]+ 202.04612 146.7
[M+K]+ 222.97546 135.4
[M+H-H2O]+ 167.00956 118.3
[M+HCOO]- 229.01050 139.2
[M+CH3COO]- 243.02615 182.4
[M+Na-2H]- 204.98697 133.1
[M]+ 184.01175 116.5
[M]- 184.01285 116.5
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