CID 53415768

1-(bromomethyl)-3-cyclopropylbenzene

Structural Information

Molecular Formula
C10H11Br
SMILES
C1CC1C2=CC=CC(=C2)CBr
InChI
InChI=1S/C10H11Br/c11-7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6,9H,4-5,7H2
InChIKey
ZZNNBZHQOBXNPE-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-cyclopropylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

210.00441 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01169 137.4
[M+Na]+ 232.99363 150.5
[M-H]- 208.99713 147.6
[M+NH4]+ 228.03823 155.6
[M+K]+ 248.96757 139.4
[M+H-H2O]+ 193.00167 137.1
[M+HCOO]- 255.00261 159.9
[M+CH3COO]- 269.01826 187.7
[M+Na-2H]- 230.97908 145.9
[M]+ 210.00386 156.9
[M]- 210.00496 156.9
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

patents stripe