CID 57374250

1-bromo-4-(1-methylcyclopropyl)benzene

Structural Information

Molecular Formula
C10H11Br
SMILES
CC1(CC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H11Br/c1-10(6-7-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKey
AEWSCKXHKZOLMX-UHFFFAOYSA-N
Compound name
1-bromo-4-(1-methylcyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

210.00441 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01169 137.0
[M+Na]+ 232.99363 150.7
[M-H]- 208.99713 147.6
[M+NH4]+ 228.03823 157.0
[M+K]+ 248.96757 140.5
[M+H-H2O]+ 193.00167 137.8
[M+HCOO]- 255.00261 159.2
[M+CH3COO]- 269.01826 187.3
[M+Na-2H]- 230.97908 146.4
[M]+ 210.00386 157.0
[M]- 210.00496 157.0
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