CID 11052164

1121-41-1

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CC[C@H]2[C@@H](C1)C2Br
InChI
InChI=1S/C7H11Br/c8-7-5-3-1-2-4-6(5)7/h5-7H,1-4H2/t5-,6+,7?
InChIKey
LOOMTCQZRVQSSA-MEKDEQNOSA-N
Compound name
(1R,6S)-7-bromobicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 133.0
[M+Na]+ 196.99363 145.5
[M-H]- 172.99713 140.8
[M+NH4]+ 192.03823 153.3
[M+K]+ 212.96757 135.0
[M+H-H2O]+ 157.00167 133.4
[M+HCOO]- 219.00261 151.7
[M+CH3COO]- 233.01826 182.0
[M+Na-2H]- 194.97908 141.3
[M]+ 174.00386 149.9
[M]- 174.00496 149.9
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.