CID 63188418

4-[(dimethylamino)methyl]-2-fluoroaniline

Structural Information

Molecular Formula
C9H13FN2
SMILES
CN(C)CC1=CC(=C(C=C1)N)F
InChI
InChI=1S/C9H13FN2/c1-12(2)6-7-3-4-9(11)8(10)5-7/h3-5H,6,11H2,1-2H3
InChIKey
VWVZWMONLJPEQH-UHFFFAOYSA-N
Compound name
4-[(dimethylamino)methyl]-2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.10628 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.113556 134.8
[M+Na]+ 191.095498 142.6
[M-H]- 167.099004 138.5
[M+NH4]+ 186.140103 155.6
[M+K]+ 207.069438 141.2
[M+H-H2O]+ 151.103540 127.7
[M+HCOO]- 213.104481 160.2
[M+CH3COO]- 227.120131 188.8
[M+Na-2H]- 189.080946 139.7
[M]+ 168.10573142 133.0
[M]- 168.10682858 133.0
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