CID 55296064

4-(trifluoromethyl)azepan-4-ol hydrochloride

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CC(CCNC1)(C(F)(F)F)O
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)6(12)2-1-4-11-5-3-6/h11-12H,1-5H2
InChIKey
IPDHAFJZFXZXST-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)azepan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0871 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09438 127.5
[M+Na]+ 206.07632 131.4
[M-H]- 182.07982 124.0
[M+NH4]+ 201.12092 144.9
[M+K]+ 222.05026 133.0
[M+H-H2O]+ 166.08436 120.3
[M+HCOO]- 228.08530 139.3
[M+CH3COO]- 242.10095 175.6
[M+Na-2H]- 204.06177 133.0
[M]+ 183.08655 114.2
[M]- 183.08765 114.2
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

No patent data available for this compound.