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

1
Patents

183.0871 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.094376 127.5
[M+Na]+ 206.076318 131.4
[M-H]- 182.079824 124.0
[M+NH4]+ 201.120923 144.9
[M+K]+ 222.050258 133.0
[M+H-H2O]+ 166.084360 120.3
[M+HCOO]- 228.085301 139.3
[M+CH3COO]- 242.100951 175.6
[M+Na-2H]- 204.061766 133.0
[M]+ 183.08655142 114.2
[M]- 183.08764858 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

patents stripe