CID 67807

2,2,3,3,4,4,4-heptafluorobutylamine

Structural Information

Molecular Formula
C4H4F7N
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C4H4F7N/c5-2(6,1-12)3(7,8)4(9,10)11/h1,12H2
InChIKey
WBGBQSRNXPVFDB-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

457
Patents

199.0232 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03048 131.5
[M+Na]+ 222.01242 140.2
[M-H]- 198.01592 123.0
[M+NH4]+ 217.05702 149.8
[M+K]+ 237.98636 138.4
[M+H-H2O]+ 182.02046 122.2
[M+HCOO]- 244.02140 144.0
[M+CH3COO]- 258.03705 186.2
[M+Na-2H]- 219.99787 136.7
[M]+ 199.02265 119.1
[M]- 199.02375 119.1
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