CID 42609011

1-(bromomethyl)-4-cyclopropylbenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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

literature stripe

Patent stripe

patents stripe